4-amino-2,6-dichloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide

C11H13Cl2F3N2O2S — CID 115515168

IUPAC4-amino-2,6-dichloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)NCCCCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C11H13Cl2F3N2O2S/c12-8-5-7(17)6-9(13)10(8)21(19,20)18-4-2-1-3-11(14,15)16/h5-6,18H,1-4,17H2
InChIKeyBOVCZMWFTXVXJC-UHFFFAOYSA-N
MW365.20 g/mol
LogP3.59
Rot. Bonds6

About 4-amino-2,6-dichloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide

4-amino-2,6-dichloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide (PubChem CID 115515168) has the molecular formula C11H13Cl2F3N2O2S and a molecular weight of 365.20 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide
PubChem CID115515168
Molecular FormulaC11H13Cl2F3N2O2S
Molecular Weight365.20 g/mol
Exact Mass364.00
IUPAC Name4-amino-2,6-dichloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)NCCCCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C11H13Cl2F3N2O2S/c12-8-5-7(17)6-9(13)10(8)21(19,20)18-4-2-1-3-11(14,15)16/h5-6,18H,1-4,17H2
InChIKeyBOVCZMWFTXVXJC-UHFFFAOYSA-N
XLogP3.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-fluoro-2-methyl-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115515228
4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981794
4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 43257027
4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 43590962
3-amino-4-fluoro-5-methyl-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115515200
3-[(4-amino-2,6-dichlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61126649
2-amino-4-cyano-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115515150
5-amino-4-nitro-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide
CID 115522052
2-chloro-5-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 115522640
4-amino-2,6-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392197
2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide
CID 90737311
4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide
CID 114940424

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide (CID 115515168) is 4-amino-2,6-dichloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide is Nc1cc(Cl)c(S(=O)(=O)NCCCCC(F)(F)F)c(Cl)c1.
What is the InChIKey of 4-amino-2,6-dichloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide?
The InChIKey is BOVCZMWFTXVXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2F3N2O2S/c12-8-5-7(17)6-9(13)10(8)21(19,20)18-4-2-1-3-11(14,15)16/h5-6,18H,1-4,17H2.
What are the key properties of 4-amino-2,6-dichloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide?
4-amino-2,6-dichloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide has a molecular weight of 365.20 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide is sourced from PubChem (CID 115515168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).